Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.70 |
| ▸ | AHR | P35869 | 2/20 | 0.62 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.59 |
| ▸ | MAOB | P27338 | 2/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | RELA | Q04206 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9580422 | 1.00 | ALDH1A1 (0.70) | ALDH1A1CYP2A6AHRNFE2L2MAOB | |
| SCHEMBL5492873 | 0.90 | AHR (0.74) | ALDH1A1AHRNFE2L2MAOBMAOA | |
| SCHEMBL18416525 | 0.90 | AHR (0.74) | ALDH1A1AHRNFE2L2MAOBMAOA | |
| SCHEMBL5492879 | 0.90 | AHR (0.74) | ALDH1A1AHRNFE2L2MAOBMAOA | |
| SCHEMBL14667870 | 0.90 | ALDH1A1 (0.86) | ALDH1A1CYP2A6AHRNFE2L2RELA | |
| SCHEMBL3087938 | 0.90 | ALDH1A1 (0.86) | ALDH1A1CYP2A6AHRNFE2L2RELA | |
| SCHEMBL18143720 | 0.84 | AHR (0.77) | ALDH1A1CYP2A6AHRNFE2L2HSD17B10 | |
| SCHEMBL18143717 | 0.84 | AHR (0.77) | ALDH1A1CYP2A6AHRNFE2L2HSD17B10 | |
| Anisaldehyde SCHEMBL1100 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP2A6AHRNFE2L2RELA | |
| Anisaldehyde SCHEMBL717471 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP2A6AHRNFE2L2RELA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993001173-A1 | PRODUCTION OF AROMATIC OLEFINS | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 1993-01-21 | — | — | WO | disclosed |